3-tert-butyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-tert-butyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H27N3 MolecularWeight: 297.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)C(C)(C)C)C

InChI

InChI=1S/C19H27N3/c1-13-9-10-16(14(2)12-13)22-18-15(8-6-7-11-20-18)17(21-22)19(3,4)5/h9-10,12,21H,6-8,11H2,1-5H3